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PubMed code 22185225

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50365345
PNG
(CHEMBL1956149)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(O)=O |r|
Show InChI InChI=1S/C30H27NO4/c1-3-19(30(33)34)15-18-7-14-26(35-2)23(16-18)17-31-29(32)25-13-11-22-9-8-20-5-4-6-21-10-12-24(25)28(22)27(20)21/h4-14,16,19H,3,15,17H2,1-2H3,(H,31,32)(H,33,34)/t19-/m0/s1
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PDB
Article
PubMed
n/an/an/an/a 12n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as transactivation activity


J Med Chem 55: 893-902 (2012)


Article DOI: 10.1021/jm2014293
BindingDB Entry DOI: 10.7270/Q2R49R7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50365345
PNG
(CHEMBL1956149)
Show SMILES CC[C@@H](Cc1ccc(OC)c(CNC(=O)c2ccc3ccc4cccc5ccc2c3c45)c1)C(O)=O |r|
Show InChI InChI=1S/C30H27NO4/c1-3-19(30(33)34)15-18-7-14-26(35-2)23(16-18)17-31-29(32)25-13-11-22-9-8-20-5-4-6-21-10-12-24(25)28(22)27(20)21/h4-14,16,19H,3,15,17H2,1-2H3,(H,31,32)(H,33,34)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 43n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human PPARdelta assessed as transactivation activity


J Med Chem 55: 893-902 (2012)


Article DOI: 10.1021/jm2014293
BindingDB Entry DOI: 10.7270/Q2R49R7G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%